Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.
Compound
| ID: | 653 | |
|---|---|---|
| Name: | 5-ethylidene-2-norbornene | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 311.15 |
experimental value |
| 298.01 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 306.31 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 308.28 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 301.61 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 303.55 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 38.03 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 28.05 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 0.22 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 10.93 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1025306 | US EPA CompTox Dashboard |